N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C22H26N6O — CID 656233

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C
InChIInChI=1S/C22H26N6O/c1-14-15(2)25-22-23-13-24-28(22)21(14)27-10-4-7-18(12-27)20(29)26-19-9-8-16-5-3-6-17(16)11-19/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,26,29)
InChIKeyVECARSVKIRXSGL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 656233) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID656233
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C
InChIInChI=1S/C22H26N6O/c1-14-15(2)25-22-23-13-24-28(22)21(14)27-10-4-7-18(12-27)20(29)26-19-9-8-16-5-3-6-17(16)11-19/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,26,29)
InChIKeyVECARSVKIRXSGL-UHFFFAOYSA-N
XLogP3.08
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 656233) is N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is VECARSVKIRXSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-15(2)25-22-23-13-24-28(22)21(14)27-10-4-7-18(12-27)20(29)26-19-9-8-16-5-3-6-17(16)11-19/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 656233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).